Brucite
Mookherjee M, Stixrude L
American Mineralogist 91 (2006) 127-134
High-pressure proton disorder in brucite
Locality: hypothetical structure calculated with DFT
Sample: P = 8.4 GPa
Note: cell adjusted to match Figure 2
_database_code_amcsd 0004000
5.3498 5.3498 4.4014 90 90 120 P-3
atom     x     y     z
Mg1      0     0     0
Mg2    1/3   2/3 .0157
O    .3317 .3362 .2396
H    .3000 .3628 .4525